N-(3,7-dimethyl-1-azabicyclo[3.3.1]nonan-2-yl)-2-(3-formamido-2-oxo-1-pyridinyl)acetamide

C18H26N4O3 — CID 166455279

IUPACN-(3,7-dimethyl-1-azabicyclo[3.3.1]nonan-2-yl)-2-(3-formamido-2-oxo-1-pyridinyl)acetamide
SMILESCC1CC2CC(C)C(NC(=O)Cn3cccc(NC=O)c3=O)N(C1)C2
InChIInChI=1S/C18H26N4O3/c1-12-6-14-7-13(2)17(22(8-12)9-14)20-16(24)10-21-5-3-4-15(18(21)25)19-11-23/h3-5,11-14,17H,6-10H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyYJEIGJFASINMHK-UHFFFAOYSA-N
MW346.43 g/mol
LogP0.86
Rot. Bonds5

About N-(3,7-dimethyl-1-azabicyclo[3.3.1]nonan-2-yl)-2-(3-formamido-2-oxo-1-pyridinyl)acetamide

N-(3,7-dimethyl-1-azabicyclo[3.3.1]nonan-2-yl)-2-(3-formamido-2-oxo-1-pyridinyl)acetamide (PubChem CID 166455279) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(3,7-dimethyl-1-azabicyclo[3.3.1]nonan-2-yl)-2-(3-formamido-2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(3,7-dimethyl-1-azabicyclo[3.3.1]nonan-2-yl)-2-(3-formamido-2-oxo-1-pyridinyl)acetamide
PubChem CID166455279
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC NameN-(3,7-dimethyl-1-azabicyclo[3.3.1]nonan-2-yl)-2-(3-formamido-2-oxo-1-pyridinyl)acetamide
SMILESCC1CC2CC(C)C(NC(=O)Cn3cccc(NC=O)c3=O)N(C1)C2
InChIInChI=1S/C18H26N4O3/c1-12-6-14-7-13(2)17(22(8-12)9-14)20-16(24)10-21-5-3-4-15(18(21)25)19-11-23/h3-5,11-14,17H,6-10H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyYJEIGJFASINMHK-UHFFFAOYSA-N
XLogP0.86
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[1-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)ethyl]-2-(3-formamido-2-oxo-1-pyridinyl)acetamide
CID 167286238
N-(2-adamantyl)-2-[3-(methylamino)-2-oxo-1-pyridinyl]acetamide
CID 166455951
(5S)-5-[[2-(butylamino)acetyl]amino]-N-methyl-N'-[1-[2-[(3-methyl-1-azabicyclo[3.3.1]nonan-2-yl)amino]-2-oxoethyl]-2-oxo-3-pyridinyl]-2-oxohexanediamide
CID 170188381
methyl (E,6S)-6-[[2-(butylamino)acetyl]amino]-7-[[1-[2-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)amino]-2-oxoethyl]-2-oxo-3-pyridinyl]amino]-7-oxohept-2-enoate
CID 168932447
2-(3-hydroxy-2-oxo-1-pyridinyl)-N-methylacetamide
CID 13336732
(2S)-N-[1-[2-(2-adamantylamino)-2-oxoethyl]-2-oxo-3-pyridinyl]-2-[[2-(butylamino)acetyl]amino]-N'-methyl-5-oxohexanediamide
CID 166455745
methyl (E,6S)-6-[(4,5-difluoro-1H-indole-2-carbonyl)amino]-7-[[1-[2-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)amino]-2-oxoethyl]-2-oxo-3-pyridinyl]amino]-7-oxohept-2-enoate
CID 166455030
(2S)-2-[(3-chloro-4-methylthiophene-2-carbonyl)amino]-N-[1-[2-[(3-ethyl-7-methyl-2-bicyclo[3.3.1]nonanyl)amino]-2-oxoethyl]-2-oxo-3-pyridinyl]-N'-methyl-5-oxohexanediamide
CID 177147148
2-(3-acetamido-2-oxo-1-pyridinyl)acetic acid
CID 11820421
methyl (E,6S)-7-[[1-[2-(2-adamantylamino)-2-oxoethyl]-2-oxo-3-pyridinyl]amino]-6-[4-(methylamino)butanoylamino]-7-oxohept-2-enoate
CID 166455194
N-methyl-N'-[1-[2-[(3-methyl-3-azabicyclo[3.3.1]nonan-2-yl)amino]-2-oxoethyl]-2-oxo-3-pyridinyl]-5-[[2-[methyl(propyl)amino]acetyl]amino]-2-oxohexanediamide
CID 167286261
2-(3-amino-2-oxo-1-pyridinyl)-N-(3-methyl-1-bicyclo[3.3.1]nonanyl)acetamide
CID 167291366

Frequently Asked Questions

What is the IUPAC name of N-(3,7-dimethyl-1-azabicyclo[3.3.1]nonan-2-yl)-2-(3-formamido-2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-(3,7-dimethyl-1-azabicyclo[3.3.1]nonan-2-yl)-2-(3-formamido-2-oxo-1-pyridinyl)acetamide (CID 166455279) is N-(3,7-dimethyl-1-azabicyclo[3.3.1]nonan-2-yl)-2-(3-formamido-2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-(3,7-dimethyl-1-azabicyclo[3.3.1]nonan-2-yl)-2-(3-formamido-2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-(3,7-dimethyl-1-azabicyclo[3.3.1]nonan-2-yl)-2-(3-formamido-2-oxo-1-pyridinyl)acetamide is CC1CC2CC(C)C(NC(=O)Cn3cccc(NC=O)c3=O)N(C1)C2.
What is the InChIKey of N-(3,7-dimethyl-1-azabicyclo[3.3.1]nonan-2-yl)-2-(3-formamido-2-oxo-1-pyridinyl)acetamide?
The InChIKey is YJEIGJFASINMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-12-6-14-7-13(2)17(22(8-12)9-14)20-16(24)10-21-5-3-4-15(18(21)25)19-11-23/h3-5,11-14,17H,6-10H2,1-2H3,(H,19,23)(H,20,24).
What are the key properties of N-(3,7-dimethyl-1-azabicyclo[3.3.1]nonan-2-yl)-2-(3-formamido-2-oxo-1-pyridinyl)acetamide?
N-(3,7-dimethyl-1-azabicyclo[3.3.1]nonan-2-yl)-2-(3-formamido-2-oxo-1-pyridinyl)acetamide has a molecular weight of 346.43 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,7-dimethyl-1-azabicyclo[3.3.1]nonan-2-yl)-2-(3-formamido-2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 166455279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).